› 2a86

X-ray diffraction
1.85Å resolution

Crystal structure of A Pantothenate synthetase complexed with AMP and beta-alanine

Released:
DOI: 10.2210/pdb2a86/pdb
PDB entry 2a86 coloured by chain, front view.
PDB entry 2a86 coloured by chain, side view.
PDB entry 2a86 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Crystal structure of the pantothenate synthetase from Mycobacterium tuberculosis, snapshots of the enzyme in action.
Wang S, Eisenberg D
Biochemistry 45 1554-61 (2006)
PMID: 16460002

Function and Biology Details

Reaction catalysed: 
ATP + (R)-pantoate + beta-alanine = AMP + diphosphate + (R)-pantothenate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161641 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pantothenate synthetase Chains: A, B
Molecule details ›
Chains: A, B
Length: 300 amino acids
Theoretical weight: 31.5 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WIL5 (Residues: 1-300; Coverage: 97%)
Gene names: MTCY07H7B.20, Rv3602c, panC
Sequence domains: Pantoate-beta-alanine ligase
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand SO4 1 x SO4
Ligand AMP 2 x AMP
Ligand BAL 2 x BAL
Ligand GOL 5 x GOL
Ligand EOH 5 x EOH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-D
Spacegroup: P21
Unit cell:
a: 47.991Å b: 70.64Å c: 81.683Å
α: 90° β: 99.21° γ: 90°
R-values:
R R work R free
0.161 0.158 0.195
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

10 review citations

Coenzyme A biosynthesis: an antimicrobial drug target.
Spry et al. (2008)
9 more

3 mentions without citation

Combining specificity determining and conserved residues improves functional site prediction.
Kalinina et al. (2009)
2 more